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Title: On the Munn−Silbey approach to polaron transport with off-diagonal coupling and temperature-dependent canonical transformations
Authors: Chen, Dongmeng
Ye, Jun
Zhang, Haijun
Zhao, Yang
Keywords: DRNTU::Science::Physics::Atomic physics::Solid state physics
Issue Date: 2011
Source: Chen, D., Ye, J., Zhang, H., & Zhao, Y. (2011). On the Munn-Silbey Approach to Polaron Transport with Off-Diagonal Coupling and Temperature-Dependent Canonical Transformations, The Journal of Physical Chemistry B, 115(18), 5312-5321.
Series/Report no.: The journal of physical chemistry B
Abstract: Improved results using a method similar to the Munn−Silbey approach have been obtained on the temperature dependence of transport properties of an extended Holstein model incorporating simultaneous diagonal and off-diagonal exciton−phonon coupling. The Hamiltonian is partially diagonalized by a canonical transformation, and optimal transformation coefficients are determined in a self-consistent manner. Calculated transport properties exhibit substantial corrections on those obtained previously by Munn and Silbey for a wide range of temperatures thanks to a numerically exact evaluation and an added momentum-dependence of the transformation matrix. Results on the diffusion coefficient in the moderate and weak coupling regime show distinct band-like and hopping-like transport features as a function of temperature.
DOI: 10.1021/jp1093492
Rights: © 2011 American Chemical Society. This is the author created version of a work that has been peer reviewed and accepted for publication by The Journal of Physical Chemistry B, American Chemical Society. It incorporates referee’s comments but changes resulting from the publishing process, such as copyediting, structural formatting, may not be reflected in this document. The published version is available at:
Fulltext Permission: open
Fulltext Availability: With Fulltext
Appears in Collections:MSE Journal Articles

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